2-[3-(carboxymethanimidoyl)cyclohexyl]-2-iminoacetic acid

C10H14N2O4 — CID 57184086

IUPAC2-[3-(carboxymethanimidoyl)cyclohexyl]-2-iminoacetic acid
SMILES[H]/N=C(\C(=O)O)C1CCCC(/C(=N/[H])C(=O)O)C1
InChIInChI=1S/C10H14N2O4/c11-7(9(13)14)5-2-1-3-6(4-5)8(12)10(15)16/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)/b11-7-,12-8-
InChIKeyPOSNBSNBXHIEPX-OXAWKVHCSA-N
MW226.23 g/mol
LogP1.00
Rot. Bonds4

About 2-[3-(carboxymethanimidoyl)cyclohexyl]-2-iminoacetic acid

2-[3-(carboxymethanimidoyl)cyclohexyl]-2-iminoacetic acid (PubChem CID 57184086) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-[3-(carboxymethanimidoyl)cyclohexyl]-2-iminoacetic acid.

Molecular Properties

Compound Name2-[3-(carboxymethanimidoyl)cyclohexyl]-2-iminoacetic acid
PubChem CID57184086
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-[3-(carboxymethanimidoyl)cyclohexyl]-2-iminoacetic acid
SMILES[H]/N=C(\C(=O)O)C1CCCC(/C(=N/[H])C(=O)O)C1
InChIInChI=1S/C10H14N2O4/c11-7(9(13)14)5-2-1-3-6(4-5)8(12)10(15)16/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)/b11-7-,12-8-
InChIKeyPOSNBSNBXHIEPX-OXAWKVHCSA-N
XLogP1.00
TPSA122.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(carboxymethanimidoyl)cyclohexyl]-2-iminoacetic acid?
The IUPAC name of 2-[3-(carboxymethanimidoyl)cyclohexyl]-2-iminoacetic acid (CID 57184086) is 2-[3-(carboxymethanimidoyl)cyclohexyl]-2-iminoacetic acid.
What is the SMILES notation for 2-[3-(carboxymethanimidoyl)cyclohexyl]-2-iminoacetic acid?
The canonical SMILES for 2-[3-(carboxymethanimidoyl)cyclohexyl]-2-iminoacetic acid is [H]/N=C(\C(=O)O)C1CCCC(/C(=N/[H])C(=O)O)C1.
What is the InChIKey of 2-[3-(carboxymethanimidoyl)cyclohexyl]-2-iminoacetic acid?
The InChIKey is POSNBSNBXHIEPX-OXAWKVHCSA-N. The full InChI is InChI=1S/C10H14N2O4/c11-7(9(13)14)5-2-1-3-6(4-5)8(12)10(15)16/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)/b11-7-,12-8-.
What are the key properties of 2-[3-(carboxymethanimidoyl)cyclohexyl]-2-iminoacetic acid?
2-[3-(carboxymethanimidoyl)cyclohexyl]-2-iminoacetic acid has a molecular weight of 226.23 g/mol, XLogP of 1.00, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(carboxymethanimidoyl)cyclohexyl]-2-iminoacetic acid is sourced from PubChem (CID 57184086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).